Chlorine in PDB 7ndp: X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL001856.

Protein crystallography data

The structure of X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL001856., PDB code: 7ndp was solved by D.Cederfelt, P.Boronat, D.Dobritzsch, S.Hennig, E.A.Fitzgerald, I.J.P.Deesch, U.H.Danielson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.53 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 76.7, 121.1, 241.3, 90, 90, 90
R / Rfree (%) 21.2 / 24.3

Other elements in 7ndp:

The structure of X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL001856. also contains other interesting chemical elements:

Bromine (Br) 8 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL001856. (pdb code 7ndp). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL001856., PDB code: 7ndp:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 7ndp

Go back to Chlorine Binding Sites List in 7ndp
Chlorine binding site 1 out of 2 in the X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL001856.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL001856. within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cl302

b:44.8
occ:1.00
NH1 I:ARG22 3.2 53.3 1.0
N I:SER94 3.2 37.8 1.0
CE1 H:HIS164 3.5 41.9 1.0
CA I:VAL93 3.6 39.1 1.0
CD I:ARG22 3.7 45.6 1.0
CB I:VAL93 3.8 38.7 1.0
C I:VAL93 3.9 40.1 1.0
CG2 H:ILE38 3.9 55.6 1.0
CG1 I:VAL93 4.1 41.7 1.0
O I:SER94 4.2 41.2 1.0
CZ I:ARG22 4.2 55.9 1.0
CB I:SER94 4.2 39.4 1.0
CA I:SER94 4.2 40.1 1.0
CG I:ARG22 4.3 52.5 1.0
ND1 H:HIS164 4.3 40.9 1.0
NE I:ARG22 4.4 51.0 1.0
CD1 I:LEU26 4.4 52.4 1.0
OG I:SER94 4.5 40.7 1.0
NH1 I:ARG123 4.5 43.7 1.0
NE2 H:HIS164 4.6 36.4 1.0
C I:SER94 4.7 35.6 1.0
OE1 H:GLU168 4.8 50.0 1.0
CB I:ARG22 4.8 49.1 1.0
CB H:ILE38 4.9 46.7 1.0
O I:GLN92 4.9 44.6 1.0
N I:VAL93 4.9 42.5 1.0

Chlorine binding site 2 out of 2 in 7ndp

Go back to Chlorine Binding Sites List in 7ndp
Chlorine binding site 2 out of 2 in the X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL001856.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL001856. within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cl303

b:44.3
occ:1.00
N J:SER94 3.1 34.0 1.0
O I:HOH410 3.1 43.5 1.0
NH1 J:ARG22 3.3 59.3 1.0
CA J:VAL93 3.5 41.3 1.0
CE1 I:HIS164 3.6 39.2 1.0
CB J:VAL93 3.7 41.9 1.0
C J:VAL93 3.8 41.0 1.0
CD J:ARG22 3.9 45.4 1.0
CG2 I:ILE38 4.0 45.9 1.0
O J:SER94 4.1 39.6 1.0
CA J:SER94 4.1 36.5 1.0
CG1 J:VAL93 4.1 47.1 1.0
CB J:SER94 4.1 37.4 1.0
CZ J:ARG22 4.3 56.5 1.0
CD1 J:LEU26 4.4 48.7 1.0
OG J:SER94 4.4 40.3 1.0
ND1 I:HIS164 4.4 38.0 1.0
CG J:ARG22 4.4 51.2 1.0
NH1 J:ARG123 4.4 43.2 1.0
NE J:ARG22 4.5 45.0 1.0
C J:SER94 4.6 36.4 1.0
NE2 I:HIS164 4.6 36.3 1.0
O J:GLN92 4.8 41.0 1.0
N J:VAL93 4.9 41.2 1.0
CB I:ILE38 4.9 42.4 1.0
OE1 I:GLU168 4.9 45.8 1.0
CB J:ARG22 4.9 46.1 1.0
O I:HOH425 5.0 40.4 1.0

Reference:

E.A.Fitzgerald, M.T.Butko, P.Boronat, D.Cederfelt, M.Abramsson, H.Ludviksdottir, J.E.Van Muijlwijk-Koezen, I.J.P.De Esch, D.Dobritzsch, T.Young, U.H.Danielson. Discovery of Fragments Inducing Conformational Effects in Dynamic Proteins Using A Second-Harmonic Generation Biosensor Rsc Adv 2021.
ISSN: ESSN 2046-2069
Page generated: Sat Apr 17 15:14:52 2021

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy